(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol

C14H28O2Si — CID 10515260

IUPAC(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol
SMILESC=C[C@H](CCO)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-12(10-11-15)13(9-2)16-17(6,7)14(3,4)5/h8-9,12-13,15H,1-2,10-11H2,3-7H3/t12-,13+/m1/s1
InChIKeyIUFOXOUOAXMJIX-OLZOCXBDSA-N
MW256.46 g/mol
LogP3.75
Rot. Bonds7

About (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol (PubChem CID 10515260) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol.

Molecular Properties

Compound Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol
PubChem CID10515260
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol
SMILESC=C[C@H](CCO)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-12(10-11-15)13(9-2)16-17(6,7)14(3,4)5/h8-9,12-13,15H,1-2,10-11H2,3-7H3/t12-,13+/m1/s1
InChIKeyIUFOXOUOAXMJIX-OLZOCXBDSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-yn-1-ol
CID 91868233
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodohept-6-en-1-ol
CID 102090845
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol
CID 71819486
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile
CID 134896006
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol?
The IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol (CID 10515260) is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol.
What is the SMILES notation for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol?
The canonical SMILES for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol is C=C[C@H](CCO)[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol?
The InChIKey is IUFOXOUOAXMJIX-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-12(10-11-15)13(9-2)16-17(6,7)14(3,4)5/h8-9,12-13,15H,1-2,10-11H2,3-7H3/t12-,13+/m1/s1.
What are the key properties of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol?
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol is sourced from PubChem (CID 10515260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).